6-chloro-N-methylpyridazin-3-amine

• ChemBase ID: 16885
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(ccc(nn1)Cl)NC
• Canonical SMILES: CNc1ccc(nn1)Cl
• InChI: InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
• InChIKey: IHSYIVAZIINDFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methylpyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-methylpyridazin-3-amine
• Synonyms: (6-Chloro-pyridazin-3-yl)-methyl-amine; 6-Chloro-N-methylpyridazin-3-amine; 3-Chloro-6-(methylamino)pyridazine; 6-chloro-N-methylpyridazin-3-amine

Database IDs

• CAS Number: 14959-32-1
• MDL Number: MFCD02178601
• PubChem SID: 160980192
• PubChem CID: 588540

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6669291
• LogD (pH = 7.4): 0.6672568
• Log P: 0.66726094
• Molar Refractivity: 40.1378 cm^3
• Polarizability: 13.511684 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175-178°C; 194 - 196°C
• Hydrophobicity(logP): 1.17

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%